1,3-bis(4-hydroxy-3-nitrophenyl)adamantane | 753023-29-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,3-bis(4-hydroxy-3-nitrophenyl)adamantane
• 英文别名: 4-[3-(4-Hydroxy-3-nitrophenyl)-1-adamantyl]-2-nitrophenol
• CAS: 753023-29-9
• 化学式: C₂₂H₂₂N₂O₆
• 分子量: 410.426
• InChiKey: JYDJEHZQLWSCRM-UHFFFAOYSA-N

物化性质

• 沸点：
  547.9±50.0 °C(Predicted)
• 密度：
  1.476±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3-bis(4-hydroxy-3-nitrophenyl)adamantane 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 21.0h， 以46%的产率得到1,3-bis(3-amino-4-hydroxyphenyl)adamantane
  参考文献：
  名称：

  EP1602641

  摘要：

  公开号：
• 作为产物：
  描述：

  4,4’-(1,3-金刚烷二基）二苯酚 在 硝酸 、 乙酸酐 、 水 作用下， 以 水 为溶剂， 反应 1.5h， 以70%的产率得到1,3-bis(4-hydroxy-3-nitrophenyl)adamantane
  参考文献：
  名称：

  EP1602641

  摘要：

  公开号：

文献信息

• Benzoxazole Resin Precursor, Polybenzoxazole Resin, Resin Film And Semiconductor Device
  申请人：Enoki Takashi

  公开号：US20080206548A1

  公开（公告）日：2008-08-28

  A benzoxazole resin precursor comprising a first repeating unit which is obtained by the reaction of a bisaminophenol compound and a dicarboxylic acid compound, at least one of which has the diamondoid structure; a benzoxazole resin precursor further comprising a second repeating unit which is obtained by the reaction of a bisaminophenol compound having no diamondoid structure and a dicarboxylic acid compound having no diamondoid structure; a polybenzoxazole resin obtained by the ring-closing reaction with dehydration of the above benzoxazole resin precursor; a resin film constituted with the benzoxazole resin precursor or the polybenzoxazole resin. A polybenzoxazole resin and a resin film having excellent heat resistance and a small permittivity and a semiconductor device using the resin film can be obtained from the benzoxazole resin precursor.

  一种苯并噁唑树脂前体，包括第一重复单元，该单元由双氨基酚化合物和二羧酸化合物反应得到，其中至少一个具有金刚烷结构；一种苯并噁唑树脂前体，进一步包括第二重复单元，该单元由不具有金刚烷结构的双氨基酚化合物和不具有金刚烷结构的二羧酸化合物反应得到；通过上述苯并噁唑树脂前体的环合反应和脱水反应得到的聚苯并噁唑树脂；由苯并噁唑树脂前体或聚苯并噁唑树脂构成的树脂膜。可以从苯并噁唑树脂前体中获得具有优异耐热性和小介电常数的聚苯并噁唑树脂和树脂膜，以及使用树脂膜的半导体器件。
• Resin Composition, Varnish, Resin Film and Semiconductor Device
  申请人：Enoki Takashi

  公开号：US20090214860A1

  公开（公告）日：2009-08-27

  Disclosed is a resin composition comprising a benzoxazole resin precursor having a first repeating unit obtained by reacting a bisaminophenol compound and a dicarboxylic acid compound, and a cross-linking agent wherein at least one of the bisaminophenol compound and the dicarboxylic acid compound has a diamondoid structure. The benzoxazole resin precursor further comprises a second repeating unit obtained by reacting a bisaminophenol compound not having a diamondoid structure and a dicarboxylic acid compound not having a diamondoid structure. Also disclosed is a resin film comprising the resin composition.

  本发明公开了一种树脂组合物，包括一种苯并噁唑树脂前体，其具有通过反应双氨基酚化合物和二羧酸化合物得到的第一重复单元，以及交联剂，其中双氨基酚化合物和/或二羧酸化合物中至少有一个具有金刚烷结构。苯并噁唑树脂前体还包括通过反应不具有金刚烷结构的双氨基酚化合物和不具有金刚烷结构的二羧酸化合物得到的第二重复单元。此外，本发明还公开了一种包括该树脂组合物的树脂膜。
• Multiple intermolecular interactions in guest inclusion by acyclic host compounds
  作者：Masatoshi Kawahata、Haruka Yamamoto、Masahide Tominaga、Kentaro Yamaguchi

  DOI：10.1039/d3ce00775h

  日期：——

  multiple intermolecular interactions, with the hydroxyl and nitro groups serving as hydrogen bond donors and acceptors. Crystallization of 1,3-bis(2-hydroxy-5-nitrophenyl)adamantane (1) in acetone, 2-butanone, and methyl acetate afforded three inclusion crystals with 1 : 1 stoichiometry. X-ray crystallographic analysis revealed that the hydroxyl groups of 1 engaged in OH⋯O interactions with the guest oxygen

  研究了具有硝基苯酚部分的二取代金刚烷通过多种分子间相互作用识别酮和酯分子的能力，其中羟基和硝基用作氢键供体和受体。1,3-双(2-羟基-5-硝基苯基)金刚烷( 1 )在丙酮、2-丁酮和乙酸甲酯中的结晶提供了具有1:1化学计量的三种包合物晶体。X射线晶体学分析表明， 1的羟基与所有晶体中的客体氧原子发生OH⋯O相互作用。此外，客体氢原子在三个、四个或五个点参与了与主体硝基和羟基的CH⋯O相互作用。这些发现表明，客体分子是通过与多个官能团的相互作用而被捕获的，其方式类似于客体包含在酶袋中的方式。1,3-双(4-羟基-3-硝基苯基)金刚烷 ( 2 ) 和 1,3-双(2-乙氧基-5-硝基苯基)金刚烷 ( 3 ) 在丙酮中结晶，形成无客体晶体，NO 2 ⋯NO 2相互作用在3的晶体中很突出。
• BIS(3-AMINO-4-HYDROXYPHENYL)ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF
  申请人：IDEMITSU KOSAN COMPANY LIMITED

  公开号：EP1602641A1

  公开（公告）日：2005-12-07

  The invention provides compounds which are excellent in terms of heat resistance, mechanical characteristics, electric characteristics, physical properties, etc. and which provide a novel material useful for, for example, interlayer insulating film or protective film for use in semiconductor devices, interlayer insulating film for use in multilayer wiring boards, cover coating in flexible printed circuits, or a liquid crystal alignment layer. The compounds are bis(3-amino-4-hydroxyphenyl)adamantane derivatives having a structure represented by formula (I) or (II): (each of R1 to R4 represents a halogen atom, a hydroxyl group, an alkyl group, an alkoxyl group, a carboxyl group, or an alkoxycarbonyl group, each of m and a is an integer of 0 to 3, and each of n and b is an integer of 0 to 14, with the proviso that the case where the following three conditions in formula (I) are met is excluded: R2 is methyl and present at a bridgehead; m is 0; and n is 2).

  本发明提供的化合物在耐热性、机械特性、电气特性、物理性能等方面具有优异的性能，并提供了一种新型材料，可用于例如半导体器件中使用的层间绝缘膜或保护膜、多层线路板中使用的层间绝缘膜、柔性印刷电路中的覆盖涂层或液晶配向层。 这些化合物是双(3-氨基-4-羟基苯基)金刚烷衍生物，其结构由式(I)或(II)表示： (R1至R4各自代表卤素原子、羟基、烷基、烷氧基、羧基或烷氧基羰基，m和a各自为0至3的整数，n和b各自为0至14的整数，但不包括满足式（I）中以下三个条件的情况：R2为甲基且存在于桥头；m为0；n为2）。
• BENZOXAZOLE RESIN PRECURSOR, POLYBENZOXAZOLE RESIN, RESIN FILM, AND SEMICONDUCTOR DEVICE
  申请人：Sumitomo Bakelite Company, Limited

  公开号：EP1832619A1

  公开（公告）日：2007-09-12

  A benzoxazole resin precursor comprising a first repeating unit which is obtained by the reaction of a bisaminophenol compound and a dicarboxylic acid compound, at least one of which has the diamondoid structure; a benzoxazole resin precursor further comprising a second repeating unit which is obtained by the reaction of a bisaminophenol compound having no diamondoid structure and a dicarboxylic acid compound having no diamondoid structure; a polybenzoxazole resin obtained by the ring-closing reaction with dehydration of the above benzoxazole resin precursor; a resin film constituted with the benzoxazole resin precursor or the polybenzoxazole resin. A polybenzoxazole resin and a resin film having excellent heat resistance and a small permittivity and a semiconductor device using the resin film can be obtained from the benzoxazole resin precursor.

  一种苯并恶唑树脂前体，包括由双氨基苯酚化合物和二羧酸化合物反应得到的 第一重复单元，其中至少一个重复单元具有菱形结构；苯并恶唑树脂前体，进一步包含第二重复单元，该第二重复单元由无菱形结构的双氨基苯酚化合物和无菱形结构的二羧酸化合物反应得到； 通过上述苯并恶唑树脂前体的脱水闭环反应得到的聚苯并恶唑树脂； 由苯并恶唑树脂前体或聚苯并恶唑树脂构成的树脂薄膜。利用苯并恶唑树脂前体可获得具有优异耐热性和较小介电常数的聚苯并恶唑树脂和树脂薄膜，以及使用该树脂薄膜的半导体器件。